2,6-dimethoxy-N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)pyridine-3-carboxamide

C17H20N4O4 — CID 91632677

IUPAC2,6-dimethoxy-N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NC2CCc3nn(C)c(=O)cc3C2)c(OC)n1
InChIInChI=1S/C17H20N4O4/c1-21-15(22)9-10-8-11(4-6-13(10)20-21)18-16(23)12-5-7-14(24-2)19-17(12)25-3/h5,7,9,11H,4,6,8H2,1-3H3,(H,18,23)
InChIKeyWWGVKXBDQVKFNJ-UHFFFAOYSA-N
MW344.37 g/mol
LogP0.48
Rot. Bonds4

About 2,6-dimethoxy-N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)pyridine-3-carboxamide

2,6-dimethoxy-N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)pyridine-3-carboxamide (PubChem CID 91632677) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2,6-dimethoxy-N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)pyridine-3-carboxamide
PubChem CID91632677
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name2,6-dimethoxy-N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NC2CCc3nn(C)c(=O)cc3C2)c(OC)n1
InChIInChI=1S/C17H20N4O4/c1-21-15(22)9-10-8-11(4-6-13(10)20-21)18-16(23)12-5-7-14(24-2)19-17(12)25-3/h5,7,9,11H,4,6,8H2,1-3H3,(H,18,23)
InChIKeyWWGVKXBDQVKFNJ-UHFFFAOYSA-N
XLogP0.48
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)pyridine-3-carboxamide?
The IUPAC name of 2,6-dimethoxy-N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)pyridine-3-carboxamide (CID 91632677) is 2,6-dimethoxy-N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dimethoxy-N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)pyridine-3-carboxamide?
The canonical SMILES for 2,6-dimethoxy-N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)pyridine-3-carboxamide is COc1ccc(C(=O)NC2CCc3nn(C)c(=O)cc3C2)c(OC)n1.
What is the InChIKey of 2,6-dimethoxy-N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)pyridine-3-carboxamide?
The InChIKey is WWGVKXBDQVKFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-21-15(22)9-10-8-11(4-6-13(10)20-21)18-16(23)12-5-7-14(24-2)19-17(12)25-3/h5,7,9,11H,4,6,8H2,1-3H3,(H,18,23).
What are the key properties of 2,6-dimethoxy-N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)pyridine-3-carboxamide?
2,6-dimethoxy-N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)pyridine-3-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)pyridine-3-carboxamide is sourced from PubChem (CID 91632677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).